Geometry & MOs

Info

ID:	242098
PubChem CID:	96026248
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	271.11392
ΔH_f, kcal/mol:	-55.55
Dipole, Da:	1.48
IP(EA), eV:	-8.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-chlorobutyl)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@@H]2CC3CC3)C=C1)F

DOS

IR

Vibrations